| SpectraBase Spectrum ID |
hWVXXzWF5B |
| Name |
Methyl 4-(N-ethynyl-N-(4-methylbenzyl)sulfamoyl)benzoate |
| Appearance |
Orange solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.087829201 u |
| Formula |
C18H17NO4S |
| InChI |
InChI=1S/C18H17NO4S/c1-4-19(13-15-7-5-14(2)6-8-15)24(21,22)17-11-9-16(10-12-17)18(20)23-3/h1,5-12H,13H2,2-3H3 |
| InChIKey |
MJCVDGMURFDOAT-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
343.397 g/mol |
| Quality |
75 |
| Reported Formula |
C18H17NO4(32)S |
| SMILES |
C(N(CC1=CC=C(C=C1)C)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)#C |
| SPLASH |
splash10-0a4i-0900000000-9ae314af5953e859af80 |
| Source of Spectrum |
ACI-55-SM9-7 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.30 (cHex/EtOAc, 5:1) |
| Wiley ID |
1895189 |
